4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride

C10H16Cl2O4 — CID 163842692

IUPAC4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
SMILESO=C(Cl)CCCOCCOCCCC(=O)Cl
InChIInChI=1S/C10H16Cl2O4/c11-9(13)3-1-5-15-7-8-16-6-2-4-10(12)14/h1-8H2
InChIKeyONJPRZPVIFBZDV-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.11
Rot. Bonds11

About 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride

4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride (PubChem CID 163842692) has the molecular formula C10H16Cl2O4 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride.

Molecular Properties

Compound Name4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
PubChem CID163842692
Molecular FormulaC10H16Cl2O4
Molecular Weight271.14 g/mol
Exact Mass270.04
IUPAC Name4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
SMILESO=C(Cl)CCCOCCOCCCC(=O)Cl
InChIInChI=1S/C10H16Cl2O4/c11-9(13)3-1-5-15-7-8-16-6-2-4-10(12)14/h1-8H2
InChIKeyONJPRZPVIFBZDV-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-methoxyheptoxy)butanoyl chloride
CID 15383030
3-(3-bromopropoxy)propanoyl chloride
CID 86619721
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
CID 158830330
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 178004606
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
5-(dihydroxyamino)oxypentanoyl chloride
CID 88560100
2-[4-(4-chlorobutoxy)butoxy]acetyl chloride
CID 139466008
8-(3-carboxypropoxy)octanoic acid
CID 154155651
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
CID 155790031

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride?
The IUPAC name of 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride (CID 163842692) is 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride.
What is the SMILES notation for 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride?
The canonical SMILES for 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride is O=C(Cl)CCCOCCOCCCC(=O)Cl.
What is the InChIKey of 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride?
The InChIKey is ONJPRZPVIFBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O4/c11-9(13)3-1-5-15-7-8-16-6-2-4-10(12)14/h1-8H2.
What are the key properties of 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride?
4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride has a molecular weight of 271.14 g/mol, XLogP of 2.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride is sourced from PubChem (CID 163842692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).